4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine

C19H24N6O — CID 138029905

IUPAC4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine
SMILESCOC1CCN(Cc2cn(Cc3ccn(-c4ccccc4)n3)nn2)CC1
InChIInChI=1S/C19H24N6O/c1-26-19-8-10-23(11-9-19)13-17-15-24(22-20-17)14-16-7-12-25(21-16)18-5-3-2-4-6-18/h2-7,12,15,19H,8-11,13-14H2,1H3
InChIKeyBPIYOZDGXGJZMM-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.12
Rot. Bonds6

About 4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine

4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine (PubChem CID 138029905) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine
PubChem CID138029905
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine
SMILESCOC1CCN(Cc2cn(Cc3ccn(-c4ccccc4)n3)nn2)CC1
InChIInChI=1S/C19H24N6O/c1-26-19-8-10-23(11-9-19)13-17-15-24(22-20-17)14-16-7-12-25(21-16)18-5-3-2-4-6-18/h2-7,12,15,19H,8-11,13-14H2,1H3
InChIKeyBPIYOZDGXGJZMM-UHFFFAOYSA-N
XLogP2.12
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
CID 62887635
[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 62885174
1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63595893
2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine
CID 136537514
4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole
CID 138025120
1-[(1-phenylpyrazol-3-yl)methyl]triazole-4-carboxamide
CID 146130022
1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115966906
N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922019
[(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 128979855
1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine
CID 154817894
N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 119919223
1-[[1-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]triazol-4-yl]methyl]piperidin-3-amine
CID 167916388

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine?
The IUPAC name of 4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine (CID 138029905) is 4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine.
What is the SMILES notation for 4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine?
The canonical SMILES for 4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine is COC1CCN(Cc2cn(Cc3ccn(-c4ccccc4)n3)nn2)CC1.
What is the InChIKey of 4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine?
The InChIKey is BPIYOZDGXGJZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-26-19-8-10-23(11-9-19)13-17-15-24(22-20-17)14-16-7-12-25(21-16)18-5-3-2-4-6-18/h2-7,12,15,19H,8-11,13-14H2,1H3.
What are the key properties of 4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine?
4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine has a molecular weight of 352.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine is sourced from PubChem (CID 138029905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).